Geometry & MOs

Info

ID:	391242
PubChem CID:	135003817
Reduced:	N2O5C24H34 (1)
Stoich.:	A2B5C24D34 (1)
Weight, g/mol:	387.95803
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	5.07
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromophenyl)-2,2-difluoroethenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCN(CC)/C(=C(/C(C(=O)NC1CCCCC1)C(=O)OC)\C(=O)OC)/C2=CC=CC=C2

DOS

IR

Vibrations